{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.6390329 -1.377095 1.7144191 ] [ -5.3525333 3.541697 -2.2013883 ] [ -3.2579148 -3.6027468 3.6503945 ] [ -2.4905354 0.333979 1.6807751 ] [ -1.2030236 -1.6176558 -6.9491287 ] [ 3.2566382 -0.8056867 -1.2188309 ] [ 2.408336 3.5275084 3.3237591 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.063690329710203e-08 -2.206349413620576e-09 2.746802200272977e-09 ] [ -8.575703715313474e-09 5.674424131357498e-09 -3.527012867562657e-09 ] [ -5.219754925118308e-09 -5.772236693622013e-09 5.848576724596905e-09 ] [ -3.990277591154777e-09 5.350933456381633e-10 2.692898570042782e-09 ] [ -1.927456286190651e-09 -2.591770303261521e-09 -1.11337315380703e-08 ] [ 5.217709586444194e-09 -1.290852394429503e-09 -1.952782372688623e-09 ] [ 3.858579634230989e-09 5.651691488155615e-09 5.325249123191249e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.680006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.473519875200372e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4991206 2.8979601 1.2063721 ] [ 1.5742608 5.0591309 2.0997855 ] [ 2.0424984 3.1236752 3.6690455 ] [ 4.9173777 2.7897227 0.351284 ] [ 4.421359 3.039553 2.8577657 ] [ 3.9525987 4.9771725 1.2867641 ] [ 3.4943538 5.2005645 3.7493471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4991206e-10 2.8979601e-10 1.2063721e-10 ] [ 1.5742608e-10 5.059130900000001e-10 2.0997855e-10 ] [ 2.0424984e-10 3.1236752e-10 3.6690455e-10 ] [ 4.917377700000001e-10 2.7897227e-10 3.51284e-11 ] [ 4.421359e-10 3.039553e-10 2.8577657e-10 ] [ 3.9525987e-10 4.977172500000001e-10 1.2867641e-10 ] [ 3.4943538e-10 5.2005645e-10 3.7493471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-05 6.81e-05 4.27e-05 ] [ 7.7e-06 -2.7e-06 -4.75e-05 ] [ 3.65e-05 -5.08e-05 -1.44e-05 ] [ 6.59e-05 -4.48e-05 -2.45e-05 ] [ -6.82e-05 4.49e-05 1.56e-05 ] [ -7.19e-05 -3.5e-06 3.3e-05 ] [ 5.6e-05 -1.11e-05 -4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-14 1.0910822787648e-13 6.841294170816001e-14 ] [ 1.233675998016e-14 -4.32587687616e-15 -7.610338948800001e-14 ] [ 5.84794466592e-14 -8.139057233664001e-14 -2.307134333952e-14 ] [ 1.0558343931072e-13 -7.177751261183999e-14 -3.92533272096e-14 ] [ -1.0926844553856e-13 7.193773027392e-14 2.499395528448e-14 ] [ -1.1519649903552e-13 -5.6076181728e-15 5.28718284864e-14 ] [ 8.97218907648e-14 -1.778416049088e-14 -7.850665441919999e-15 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682643873984e-18 } }